NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.1113 8.3144 119.9844 56.4519 34.2278 174.4778 7 K 4.2399 7.8186 121.1711 55.4558 34.1109 173.6854 8 Y 5.4830 8.7024 124.2793 56.5773 42.2761 173.7631 9 A 4.8424 9.3483 125.6043 49.8812 22.8483 174.7267 10 K 4.8585 8.5033 121.7884 54.3277 33.9783 175.7838 11 S 4.0391 9.3204 123.5156 59.3063 62.6038 175.1761 12 K 3.8944 8.8421 127.5620 58.2164 32.2206 174.9120 13 Y 4.9575 7.5061 114.3396 56.3572 42.5599 173.9812 14 D 4.9429 8.9002 119.0103 53.7849 42.9117 176.6453 15 F 4.7436 9.0144 123.3480 56.6930 42.6895 173.6422 16 V 3.9463 7.8873 126.9576 61.1726 31.6748 175.6347 17 A 3.9245 10.1894 131.1342 52.7478 19.0255 176.5246 18 R 4.3749 9.0214 117.3253 57.4187 32.0325 176.6312 19 N 5.1001 7.8546 113.4873 50.8487 41.3709 175.7082 20 S 4.2186 8.5978 113.7246 60.7025 62.9920 175.2031 21 S 4.5090 8.0324 115.6088 58.8186 63.3816 173.4647 22 E 4.5716 8.0960 120.8240 54.3909 31.0063 174.8178 23 L 4.5813 8.3283 125.1564 53.8449 43.4933 175.7537 24 S 4.7148 8.7678 122.9233 58.3834 63.6443 173.9961 25 V 4.5621 8.8252 118.0717 59.9163 35.1769 174.4524 26 M 5.4130 8.6853 120.0850 53.1409 35.8868 175.8506 27 K 4.1855 10.0629 122.2388 57.6303 32.7326 176.7291 28 D 4.5718 8.9287 124.0657 54.8280 39.1699 173.7124 29 D 4.5608 8.1311 120.5485 54.1604 42.1848 175.6020 30 V 4.5365 8.3687 123.0693 61.6891 32.4283 174.8743 31 L 4.7968 9.0194 128.7501 53.2477 44.6331 175.2093 32 E 4.7921 8.5142 121.8977 54.4740 31.1514 175.3470 33 I 3.9750 7.9607 128.8589 61.1245 37.4843 176.0683 34 L 4.4186 8.4344 127.0210 53.9170 44.0334 175.1218 35 D 4.1665 8.2519 115.9973 58.9541 39.6068 173.5639 36 D 4.1579 8.9291 113.7261 56.2101 39.5692 172.9828 37 R 3.8218 7.9511 114.2868 56.8893 28.5649 177.1553 38 R 4.0089 8.1731 117.7867 56.8595 30.7502 175.4040 39 Q 4.7966 8.2906 120.0070 53.9859 31.2152 174.9955 40 W 5.2397 9.0277 122.7680 54.8023 32.7481 174.9393 41 W 5.5752 9.5340 120.4420 55.0010 33.0162 174.6723 42 K 4.0551 8.9510 124.8064 55.8504 32.3986 176.0850 43 V 4.5240 8.4868 119.9929 59.3870 36.2447 174.6100 44 R 4.8683 8.2358 121.2591 54.6079 32.2448 174.7244 45 N 4.6619 8.6633 124.0568 51.5940 38.6719 175.7727 46 A 3.9189 8.6531 121.9320 55.5900 18.4566 179.1777 47 S 4.1462 7.4530 109.7818 61.4606 62.6796 174.0094 48 G 3.8647 8.3752 111.3203 46.0118 0.0000 174.5780 49 D 4.3178 7.9763 121.4056 54.6135 41.1562 177.0798 50 S 4.8372 8.4376 120.3295 57.7318 64.9165 172.4480 51 G 3.8945 6.9888 106.6529 46.2551 0.0000 170.6222 52 F 5.4496 8.7591 117.6198 55.7572 41.4031 175.4437 53 V 4.9445 9.0772 122.9837 60.2174 34.9451 172.7444 54 P 4.1560 0.0000 0.0000 62.3174 32.1304 177.0223 55 N 4.3354 8.6470 120.4535 54.8059 37.5499 176.9637 56 N 4.2083 7.7786 116.4276 56.4747 38.6345 176.2051 57 I 3.8858 7.1789 115.8162 62.5684 37.4218 175.5667 58 L 4.8752 7.2395 118.6402 52.7342 44.5019 175.2611 59 D 4.9628 8.2859 119.0912 52.2868 43.4116 176.6115 60 I 3.9636 8.4260 124.5842 61.7153 37.8503 175.1592 61 M 4.8684 8.2013 120.8183 53.7246 35.2385 175.2415 62 R 4.6067 8.2585 120.8008 54.8541 33.4456 174.4315 63 T 4.4883 8.2023 112.6679 58.9769 70.6114 173.5881 64 P 4.3579 0.0000 0.0000 62.9009 30.1701 176.8059 65 E 4.1653 8.0279 117.9982 57.0596 29.4047 176.4330 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 6 K 8.31 4.11 0.00 1.51 1.71 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.34 7.81 7 K 7.82 4.24 0.00 1.90 1.72 0.00 1.57 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.57 7.81 8 Y 8.70 5.48 0.00 2.86 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 9.35 4.84 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.50 4.86 0.00 1.74 1.70 0.00 1.87 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.51 7.81 11 S 9.32 4.04 0.00 3.94 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.84 3.89 0.00 1.68 1.42 0.00 1.63 0.00 0.00 0.89 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.05 1.31 7.81 13 Y 7.51 4.96 0.00 2.96 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.90 4.94 0.00 2.64 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 9.01 4.74 0.00 3.16 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.89 3.95 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.83 0.00 0.00 17 A 10.19 3.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 9.02 4.37 0.00 2.14 1.99 0.00 3.16 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 19 N 7.85 5.10 0.00 2.87 2.76 0.00 0.00 6.80 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.60 4.22 0.00 3.99 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.03 4.51 0.00 4.11 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.10 4.57 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 23 L 8.33 4.58 0.00 1.62 1.59 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.77 4.71 0.00 3.79 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.83 4.56 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.10 0.00 0.00 26 M 8.69 5.41 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.61 0.00 27 K 10.06 4.19 0.00 1.75 1.73 0.00 1.72 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.45 7.81 28 D 8.93 4.57 0.00 2.83 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.13 4.56 0.00 2.91 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.37 4.54 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.93 0.00 0.00 31 L 9.02 4.80 0.00 1.59 1.56 0.95 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.51 4.79 0.00 1.98 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.97 0.00 33 I 7.96 3.97 1.81 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.62 0.92 0.00 0.00 34 L 8.43 4.42 0.00 1.57 1.55 0.85 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.25 4.17 0.00 3.03 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.93 4.16 0.00 2.74 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.95 3.82 0.00 1.96 1.97 0.00 3.27 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 38 R 8.17 4.01 0.00 1.80 2.06 0.00 2.41 0.00 0.00 2.74 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.45 0.00 39 Q 8.29 4.80 0.00 1.78 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.52 0.00 0.00 0.00 0.00 0.00 2.45 2.23 0.00 40 W 9.03 5.24 0.00 3.20 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 W 9.53 5.58 0.00 3.31 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.95 4.06 0.00 1.63 1.63 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.66 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.12 0.76 7.81 43 V 8.49 4.52 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.94 0.00 0.00 44 R 8.24 4.87 0.00 1.70 1.73 0.00 3.19 0.00 0.00 3.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.67 0.00 45 N 8.66 4.66 0.00 2.86 2.93 0.00 0.00 6.40 8.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.65 3.92 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 7.45 4.15 0.00 3.99 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.38 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.98 4.32 0.00 2.68 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.44 4.84 0.00 3.77 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 6.99 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.76 5.45 0.00 2.89 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 9.08 4.94 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.06 0.00 0.00 54 P 0.00 4.16 0.00 1.68 1.14 0.00 3.54 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.02 0.00 55 N 8.65 4.34 0.00 1.44 1.62 0.00 0.00 6.76 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.78 4.21 0.00 2.50 2.78 0.00 0.00 6.99 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.18 3.89 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.36 0.90 0.00 0.00 58 L 7.24 4.88 0.00 1.89 1.62 1.20 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.29 4.96 0.00 2.63 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.43 3.96 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.82 0.89 0.00 0.00 61 M 8.20 4.87 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.58 0.00 62 R 8.26 4.61 0.00 1.70 1.72 0.00 3.17 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 63 T 8.20 4.49 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 64 P 0.00 4.36 0.00 2.19 2.17 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 65 E 8.03 4.17 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.84 0.00